Dear all,
I try to do a quaish analysis of my md run in order to calculate the
order parameters for my protein. The protein contains 1231 atoms. The
quasih run finishes without problems but if I try to run nmanal, I
always get teh following error message
nmanal -O -i nmanal.in -o ubi.nmanal.out -p ubi.top -v ubi.quasih.vec -m
mass -proj ubi.quasih.proj
lib-4001 : UNRECOVERABLE library error
A READ operation tried to read past the end-of-file.
Encountered during a namelist READ from unit 4
Fortran unit 4 is connected to a sequential formatted text file:
"nmanal.in"
IOT Trap
nmanal.in
&data
ntrun = 7,
nvect=80,
ibeg=7, iend=80,
ivform=0
natom=1231,
ihsful=1,
&end
20 21
Best regards and thanks for the help
Peter
Received on Fri Sep 27 2002 - 06:59:11 PDT
